5W97
 
 | | Crystal Structure of CO-bound Cytochrome c Oxidase determined by Serial Femtosecond X-Ray Crystallography at Room Temperature | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I, Zatsepin, N.A, Grant, T.D, Fromme, P, Fromme, R. | | Deposit date: | 2017-06-22 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6B69
 | | Beta-Lactamase, 500ms timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B6D
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B5Y
 | | Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form | | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-09-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B6A
 | | Beta-Lactamase, 2secs timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B6C
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6B6B
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6B6E
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B68
 | | Beta-Lactamase, 100ms timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6CAS
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6CAR
 | | Serial Femtosecond X-ray Crystal Structure of 30S ribosomal subunit from Thermus thermophilus in complex with Sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, ... | | Authors: | DeMirci, H. | | Deposit date: | 2018-01-31 | | Release date: | 2018-07-25 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Aminoglycoside ribosome interactions reveal novel conformational states at ambient temperature.
Nucleic Acids Res., 46, 2018
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6CAO
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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5LBR
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | | Authors: | Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S. | | Deposit date: | 2016-06-17 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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5L8M
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | | Authors: | Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S. | | Deposit date: | 2016-06-08 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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6FTR
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.76000106 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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7M78
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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7M75
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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7M76
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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6WEB
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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6WEC
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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5SWD
 | | Structure of the adenine riboswitch aptamer domain in an intermediate-bound state | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ... | | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | | Deposit date: | 2016-08-08 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
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5SWE
 | | Ligand-bound structure of adenine riboswitch aptamer domain converted in crystal from its ligand-free state using ligand mixing serial femtosecond crystallography | | Descriptor: | ADENINE, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | | Deposit date: | 2016-08-08 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
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5MND
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